SCHEMBL7785507

SCHEMBL7785507

COc1cccc(C(NC(C)c2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7785707 0.90 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7780524 0.87 SMN1; SMN2 (0.43) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7785661 0.87 MAPK1 (0.39) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7787479 0.83 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2D6ALDH1A1
SCHEMBL7785020 0.83 GAA (0.40) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7787867 0.82 MAPK1 (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7787701 0.82 MAPK1 (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7780352 0.82 MAPK1 (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7785504 0.79 MEN1 (0.43) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7785104 0.78 GAA (0.46) MAPTMEN1KMT2ASMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed